Lot numbers can be found on the outside label of a product:
Methyl 5-amino-2-methylbenzoate
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CAS No. 18595-12-5
- Cat. No. CS-W003565
- Purity≥98%
- MDL No.MFCD08752568
*For research and further manufacturing use only, not for direct human use.
Structure of 18595-12-5
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General Information
- CAS No. 18595-12-5
- Cat. No. CS-W003565
- Purity ≥98%
- MDL No. MFCD08752568
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₁NO₂
- Molecular Weight 165.19
- Synonym(s) Methyl 5-Amino-o-toluate
- SMILES Cc1ccc(cc1C(=O)OC)N
Description
Methyl 5-amino-2-methylbenzoate features a strategically positioned amino group that enhances electron density for downstream functionalization. The methyl ester facilitates direct incorporation into synthetic sequences, while the ortho-methyl substituent provides steric stabilization and improved solubility in organic media. This compound serves as a key intermediate in the synthesis of bioactive heterocycles and pharmaceutical precursors.
Application
Methyl 5-amino-2-methylbenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted benzimidazoles, quinolines, and other heterocyclic scaffolds. The ortho-methyl and para-amino groups provide complementary sites for functionalization, while the ester moiety supports further transformations via hydrolysis or nucleophilic substitution. Bench-stable and readily purified by recrystallization, it functions effectively in standard coupling and cyclization protocols.
Synthesis
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Route1
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In-stock
77324-87-9 - ~99%
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In-stock
18595-12-5
References
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PHARMACIA and UPJOHN COMPANY Patent: WO2004/18414 A2, 2004 ; Location in patent: Page 110 ;
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Route2
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In-stock
1975-52-6 - ~%
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In-stock
18595-12-5
References
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Bioorganic and Medicinal Chemistry Letters, , vol. 17, # 10 p. 2823 - 2827
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Route3
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In-stock
18583-89-6 - ~%
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83140-97-0 -
In-stock
18595-12-5
References
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US5234946 A1, ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 52.32
- LogP 1.36382
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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